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reduce the absolute tolerance for flatness checks of molecules
Test code and publish package #789: Commit 1ba97b7 pushed by stefdoerr
December 16, 2024 11:13 In progress main
December 16, 2024 11:13 In progress
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CodeQL #102: by stefdoerr
December 16, 2024 11:13 1m 24s main
December 16, 2024 11:13 1m 24s
ensure dtypes for cython function
Test code and publish package #788: Commit bf569d2 pushed by stefdoerr
December 16, 2024 10:44 18m 4s main
December 16, 2024 10:44 18m 4s
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CodeQL #101: by stefdoerr
December 16, 2024 10:44 1m 19s main
December 16, 2024 10:44 1m 19s
cdpkit still messing with numpy
Test code and publish package #787: Commit 575fc8b pushed by stefdoerr
December 16, 2024 10:09 18m 49s main
December 16, 2024 10:09 18m 49s
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CodeQL #100: by stefdoerr
December 16, 2024 10:09 1m 17s main
December 16, 2024 10:09 1m 17s
add requests to pypi deps. reenable cdpkit
Test code and publish package #786: Commit 1a08e98 pushed by stefdoerr
December 16, 2024 09:50 8m 53s main
December 16, 2024 09:50 8m 53s
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CodeQL #99: by stefdoerr
December 16, 2024 09:50 1m 24s main
December 16, 2024 09:50 1m 24s
Scheduled
CodeQL #98: by github-advanced-security bot
December 12, 2024 09:02 1m 40s main
December 12, 2024 09:02 1m 40s
relax sasa test accuracy for windows builds
Test code and publish package #785: Commit ef6a56e pushed by stefdoerr
December 10, 2024 10:45 50m 21s 1.9.18
December 10, 2024 10:45 50m 21s
relax sasa test accuracy for windows builds
Build docs #86: Commit ef6a56e pushed by stefdoerr
December 10, 2024 10:45 3m 8s 1.9.18
December 10, 2024 10:45 3m 8s
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CodeQL #97: by stefdoerr
December 10, 2024 10:27 1m 46s main
December 10, 2024 10:27 1m 46s
relax sasa test accuracy for windows builds
Test code and publish package #784: Commit ef6a56e pushed by stefdoerr
December 10, 2024 10:27 17m 51s main
December 10, 2024 10:27 17m 51s
no 3.13 release until obabel makes new builds
Test code and publish package #783: Commit a141ff0 pushed by stefdoerr
December 10, 2024 10:06 19m 9s main
December 10, 2024 10:06 19m 9s
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CodeQL #96: by stefdoerr
December 10, 2024 10:06 1m 38s main
December 10, 2024 10:06 1m 38s
different building
Test code and publish package #782: Commit 8d5c289 pushed by stefdoerr
December 10, 2024 09:50 16m 24s main
December 10, 2024 09:50 16m 24s
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CodeQL #95: by stefdoerr
December 10, 2024 09:50 1m 41s main
December 10, 2024 09:50 1m 41s
build with numpy>=2 but require 1.23+
Test code and publish package #781: Commit dd6400b pushed by stefdoerr
December 10, 2024 09:43 7m 36s main
December 10, 2024 09:43 7m 36s
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CodeQL #94: by stefdoerr
December 10, 2024 09:43 1m 50s main
December 10, 2024 09:43 1m 50s
remove forced rdkit version
Test code and publish package #780: Commit 1096a98 pushed by stefdoerr
December 10, 2024 09:28 2m 7s main
December 10, 2024 09:28 2m 7s
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CodeQL #93: by stefdoerr
December 10, 2024 09:28 1m 35s main
December 10, 2024 09:28 1m 35s
disable tautomer test for FDA drugs since new rdkit versions always b…
Test code and publish package #779: Commit 98cf3cc pushed by stefdoerr
December 10, 2024 09:11 19m 11s main
December 10, 2024 09:11 19m 11s
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CodeQL #92: by stefdoerr
December 10, 2024 09:11 1m 38s main
December 10, 2024 09:11 1m 38s
unconstrain the rdkit version for the tests
Test code and publish package #778: Commit fb0a52f pushed by stefdoerr
December 10, 2024 08:49 23m 9s main
December 10, 2024 08:49 23m 9s
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CodeQL #91: by stefdoerr
December 10, 2024 08:49 1m 44s main
December 10, 2024 08:49 1m 44s